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101736-47-4 | 1,3-Butanedione, 1-(9-anthracenyl)-
CAS No: 101736-47-4 Catalog No: AG0005CD MDL No:
Product Description
Catalog Number:
AG0005CD
Chemical Name:
1,3-Butanedione, 1-(9-anthracenyl)-
CAS Number:
101736-47-4
Molecular Formula:
C18H14O2
Molecular Weight:
262.3026
IUPAC Name:
1-anthracen-9-ylbutane-1,3-dione
InChI:
InChI=1S/C18H14O2/c1-12(19)10-17(20)18-15-8-4-2-6-13(15)11-14-7-3-5-9-16(14)18/h2-9,11H,10H2,1H3
InChI Key:
HEGRMYBTNIGYIV-UHFFFAOYSA-N
SMILES:
CC(=O)CC(=O)c1c2ccccc2cc2c1cccc2
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.099g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.308g/mol
Monoisotopic Mass:
262.099g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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